data_nef_c34271_6gig save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6GIG stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 THR middle . . 4 A 4 LYS middle . . 5 A 5 HIS middle . . 6 A 6 GLY middle . false 7 A 7 LYS middle . . 8 A 8 ASN middle . . 9 A 9 SER middle . . 10 A 10 TRP middle . . 11 A 11 LYS middle . . 12 A 12 THR middle . . 13 A 13 LEU middle . . 14 A 14 TYR middle . . 15 A 15 LEU middle . . 16 A 16 LYS middle . . 17 A 17 ILE middle . . 18 A 18 SER middle . . 19 A 19 PHE middle . . 20 A 20 LEU middle . . 21 A 21 GLY middle . false 22 A 22 CYS middle . . 23 A 23 LYS middle . . 24 A 24 VAL middle . . 25 A 25 VAL middle . . 26 A 26 VAL middle . . 27 A 27 LEU middle . . 28 A 28 LEU middle . . 29 A 29 LYS middle . . 30 A 30 ARG end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.171 0.000 A 1 MET HBx H 1 2.230 0.000 A 1 MET HBy H 1 2.230 0.000 A 2 ALA H H 1 8.680 0.000 A 2 ALA HA H 1 4.539 0.000 A 2 ALA HB% H 1 1.466 0.000 A 2 ALA N N 15 126.916 0.000 A 3 THR H H 1 8.123 0.000 A 3 THR HA H 1 4.405 0.000 A 3 THR HB H 1 4.237 0.000 A 3 THR HG2% H 1 1.223 0.000 A 3 THR N N 15 113.359 0.000 A 4 LYS H H 1 8.283 0.000 A 4 LYS HA H 1 4.353 0.000 A 4 LYS HBy H 1 1.838 0.000 A 4 LYS HBx H 1 1.759 0.000 A 4 LYS HDx H 1 1.711 0.000 A 4 LYS HDy H 1 1.711 0.000 A 4 LYS HEx H 1 3.021 0.000 A 4 LYS HEy H 1 3.021 0.000 A 4 LYS HGx H 1 1.409 0.000 A 4 LYS HGy H 1 1.475 0.000 A 4 LYS N N 15 122.721 0.000 A 5 HIS H H 1 8.470 0.000 A 5 HIS HA H 1 4.794 0.000 A 5 HIS HBy H 1 3.344 0.000 A 5 HIS HBx H 1 3.219 0.000 A 5 HIS HD1 H 1 7.349 0.000 A 5 HIS N N 15 118.357 0.000 A 6 GLY H H 1 8.447 0.000 A 6 GLY HAy H 1 4.106 0.000 A 6 GLY HAx H 1 4.030 0.000 A 6 GLY N N 15 109.207 0.000 A 7 LYS H H 1 8.348 0.000 A 7 LYS HA H 1 4.350 0.000 A 7 LYS HBy H 1 1.915 0.000 A 7 LYS HBx H 1 1.833 0.000 A 7 LYS HDx H 1 1.711 0.000 A 7 LYS HDy H 1 1.711 0.000 A 7 LYS HEx H 1 3.041 0.000 A 7 LYS HEy H 1 3.041 0.000 A 7 LYS HGy H 1 1.514 0.000 A 7 LYS HGx H 1 1.464 0.000 A 7 LYS N N 15 120.646 0.000 A 8 ASN H H 1 8.522 0.000 A 8 ASN HA H 1 4.767 0.000 A 8 ASN HBx H 1 2.797 0.000 A 8 ASN HBy H 1 2.797 0.000 A 8 ASN HD2x H 1 6.854 0.000 A 8 ASN HD2y H 1 7.560 0.000 A 8 ASN N N 15 118.151 0.000 A 8 ASN ND2 N 15 111.724 0.000 A 9 SER H H 1 8.269 0.000 A 9 SER HA H 1 4.424 0.000 A 9 SER HBx H 1 3.923 0.000 A 9 SER HBy H 1 3.947 0.000 A 9 SER N N 15 116.324 0.000 A 10 TRP H H 1 8.034 0.000 A 10 TRP HA H 1 4.505 0.000 A 10 TRP HBx H 1 3.341 0.000 A 10 TRP HBy H 1 3.422 0.000 A 10 TRP HD1 H 1 7.351 0.000 A 10 TRP HE1 H 1 9.899 0.000 A 10 TRP HE3 H 1 7.516 0.000 A 10 TRP HH2 H 1 7.119 0.000 A 10 TRP HZ2 H 1 7.428 0.000 A 10 TRP HZ3 H 1 6.967 0.000 A 10 TRP N N 15 122.523 0.000 A 10 TRP NE1 N 15 127.644 0.000 A 11 LYS H H 1 7.646 0.000 A 11 LYS HA H 1 3.827 0.000 A 11 LYS HBy H 1 1.750 0.000 A 11 LYS HBx H 1 1.645 0.000 A 11 LYS HEx H 1 2.917 0.000 A 11 LYS HEy H 1 2.917 0.000 A 11 LYS HGy H 1 1.112 0.000 A 11 LYS HGx H 1 1.060 0.000 A 11 LYS N N 15 119.155 0.000 A 12 THR H H 1 7.633 0.000 A 12 THR HA H 1 3.963 0.000 A 12 THR HB H 1 4.281 0.000 A 12 THR HG2% H 1 1.292 0.000 A 12 THR N N 15 111.427 0.000 A 13 LEU H H 1 7.563 0.000 A 13 LEU HA H 1 4.148 0.000 A 13 LEU HBx H 1 1.689 0.000 A 13 LEU HBy H 1 1.689 0.000 A 13 LEU HDy% H 1 0.937 0.000 A 13 LEU HG H 1 1.858 0.000 A 13 LEU N N 15 122.380 0.000 A 14 TYR H H 1 8.210 0.000 A 14 TYR HA H 1 4.133 0.000 A 14 TYR HBx H 1 2.980 0.000 A 14 TYR HBy H 1 3.057 0.000 A 14 TYR HDx H 1 7.054 0.000 A 14 TYR HDy H 1 7.054 0.000 A 14 TYR HEx H 1 6.821 0.000 A 14 TYR HEy H 1 6.821 0.000 A 14 TYR N N 15 117.925 0.000 A 15 LEU H H 1 8.180 0.000 A 15 LEU HA H 1 3.967 0.000 A 15 LEU HBx H 1 1.847 0.000 A 15 LEU HBy H 1 1.923 0.000 A 15 LEU HDy% H 1 0.932 0.000 A 15 LEU HG H 1 1.604 0.000 A 15 LEU N N 15 120.701 0.000 A 16 LYS H H 1 7.942 0.000 A 16 LYS HA H 1 4.064 0.000 A 16 LYS HBx H 1 1.974 0.000 A 16 LYS HBy H 1 2.074 0.000 A 16 LYS HDx H 1 1.702 0.000 A 16 LYS HDy H 1 1.702 0.000 A 16 LYS HEx H 1 2.922 0.000 A 16 LYS HEy H 1 2.922 0.000 A 16 LYS HGx H 1 1.290 0.000 A 16 LYS HGy H 1 1.442 0.000 A 16 LYS N N 15 119.019 0.000 A 17 ILE H H 1 8.534 0.000 A 17 ILE HA H 1 3.838 0.000 A 17 ILE HB H 1 1.903 0.000 A 17 ILE HD1% H 1 0.851 0.000 A 17 ILE HG1x H 1 1.256 0.000 A 17 ILE HG1y H 1 1.256 0.000 A 17 ILE HG2% H 1 0.934 0.000 A 17 ILE N N 15 117.741 0.000 A 18 SER H H 1 8.145 0.000 A 18 SER HA H 1 4.143 0.000 A 18 SER HBx H 1 3.694 0.000 A 18 SER HBy H 1 3.920 0.000 A 18 SER N N 15 116.397 0.000 A 19 PHE H H 1 8.169 0.000 A 19 PHE HA H 1 4.437 0.000 A 19 PHE HBx H 1 3.262 0.000 A 19 PHE HBy H 1 3.262 0.000 A 19 PHE HDx H 1 7.270 0.000 A 19 PHE HDy H 1 7.270 0.000 A 19 PHE HEx H 1 7.301 0.000 A 19 PHE HEy H 1 7.301 0.000 A 19 PHE N N 15 122.036 0.000 A 20 LEU H H 1 8.240 0.000 A 20 LEU HA H 1 4.130 0.000 A 20 LEU HBx H 1 1.888 0.000 A 20 LEU HBy H 1 1.888 0.000 A 20 LEU HDy% H 1 0.939 0.000 A 20 LEU HG H 1 1.633 0.000 A 20 LEU N N 15 119.824 0.000 A 21 GLY H H 1 8.336 0.000 A 21 GLY HAy H 1 3.927 0.000 A 21 GLY HAx H 1 3.865 0.000 A 21 GLY N N 15 105.579 0.000 A 22 CYS H H 1 7.940 0.000 A 22 CYS HA H 1 4.315 0.000 A 22 CYS HBy H 1 3.069 0.000 A 22 CYS HBx H 1 2.949 0.000 A 22 CYS N N 15 117.547 0.000 A 23 LYS H H 1 7.868 0.000 A 23 LYS HA H 1 4.111 0.000 A 23 LYS HBy H 1 1.916 0.000 A 23 LYS HBx H 1 1.914 0.000 A 23 LYS HDx H 1 1.704 0.000 A 23 LYS HDy H 1 1.704 0.000 A 23 LYS HEx H 1 2.896 0.000 A 23 LYS HEy H 1 2.896 0.000 A 23 LYS HGy H 1 1.508 0.000 A 23 LYS HGx H 1 1.414 0.000 A 23 LYS N N 15 119.364 0.000 A 24 VAL H H 1 7.830 0.000 A 24 VAL HA H 1 3.770 0.000 A 24 VAL HB H 1 2.199 0.000 A 24 VAL HGx% H 1 0.968 0.000 A 24 VAL HGy% H 1 1.038 0.000 A 24 VAL N N 15 117.394 0.000 A 25 VAL H H 1 7.590 0.000 A 25 VAL HA H 1 3.706 0.000 A 25 VAL HB H 1 2.199 0.000 A 25 VAL HGx% H 1 0.968 0.000 A 25 VAL HGy% H 1 1.058 0.000 A 25 VAL N N 15 117.646 0.000 A 26 VAL H H 1 7.464 0.000 A 26 VAL HA H 1 3.763 0.000 A 26 VAL HB H 1 2.207 0.000 A 26 VAL HGx% H 1 0.973 0.000 A 26 VAL HGy% H 1 1.059 0.000 A 26 VAL N N 15 117.313 0.000 A 27 LEU H H 1 7.820 0.000 A 27 LEU HA H 1 4.182 0.000 A 27 LEU HBy H 1 1.919 0.000 A 27 LEU HBx H 1 1.776 0.000 A 27 LEU HDx% H 1 0.882 0.000 A 27 LEU HDy% H 1 0.905 0.000 A 27 LEU HG H 1 1.616 0.000 A 27 LEU N N 15 119.418 0.000 A 28 LEU H H 1 7.985 0.000 A 28 LEU HA H 1 4.292 0.000 A 28 LEU HBx H 1 1.879 0.000 A 28 LEU HBy H 1 1.879 0.000 A 28 LEU HDy% H 1 0.864 0.000 A 28 LEU HG H 1 1.565 0.000 A 28 LEU N N 15 117.697 0.000 A 29 LYS H H 1 7.921 0.000 A 29 LYS HA H 1 4.313 0.000 A 29 LYS HBx H 1 1.879 0.000 A 29 LYS HBy H 1 1.954 0.000 A 29 LYS HDy H 1 1.706 0.000 A 29 LYS HEx H 1 2.982 0.000 A 29 LYS HEy H 1 2.982 0.000 A 29 LYS HGx H 1 1.496 0.000 A 29 LYS HGy H 1 1.496 0.000 A 29 LYS N N 15 118.101 0.000 A 30 ARG H H 1 7.922 0.000 A 30 ARG HA H 1 4.359 0.000 A 30 ARG HBy H 1 2.015 0.000 A 30 ARG HBx H 1 1.907 0.000 A 30 ARG HDx H 1 3.226 0.000 A 30 ARG HDy H 1 3.226 0.000 A 30 ARG HE H 1 7.192 0.000 A 30 ARG HGx H 1 1.734 0.000 A 30 ARG HGy H 1 1.734 0.000 A 30 ARG N N 15 120.488 0.000 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 17 ILE H A 16 LYS HBy 1.0 . 4.19 2 2 A 17 ILE H A 16 LYS HBx 1.0 . 4.26 3 3 A 17 ILE H A 14 TYR HA 1.0 . 4.01 4 4 A 17 ILE H A 16 LYS HA 1.0 . 4.56 5 5 A 8 ASN H A 7 LYS HA 1.0 . 3.34 6 6 A 8 ASN H A 9 SER H 1.0 . 5.21 7 7 A 17 ILE H A 18 SER H 1.0 . 4.52 8 8 A 17 ILE H A 16 LYS H 1.0 . 4.53 9 9 A 5 HIS H A 4 LYS HA 1.0 . 3.27 10 10 A 5 HIS H A 4 LYS HBy 1.0 . 4.68 11 11 A 5 HIS H A 4 LYS HBx 1.0 . 5.09 12 12 A 6 GLY H A 5 HIS HBy 1.0 . 5.19 13 13 A 7 LYS H A 6 GLY HAy 1.0 . 3.69 14 14 A 7 LYS H A 6 GLY HAx 1.0 . 3.58 15 15 A 21 GLY H A 20 LEU H 1.0 . 4.77 16 16 A 21 GLY H A 20 LEU HG 1.0 . 4.65 17 17 A 4 LYS H A 3 THR HA 1.0 . 3.23 18 18 A 4 LYS H A 3 THR HB 1.0 . 4.26 19 19 A 4 LYS H A 3 THR HG2% 1.0 . 5.11 20 20 A 9 SER H A 10 TRP H 1.0 . 5.18 21 21 A 20 LEU H A 19 PHE HA 1.0 . 4.33 22 22 A 20 LEU H A 19 PHE HD% 1.0 . 5.09 23 23 A 16 LYS HA A 20 LEU H 1.0 . 5.23 24 24 A 20 LEU H A 17 ILE HA 1.0 . 4.38 25 25 A 14 TYR H A 10 TRP HA 1.0 . 5.10 26 26 A 14 TYR H A 11 LYS HA 1.0 . 4.33 27 27 A 14 TYR H A 13 LEU HG 1.0 . 3.83 28 28 A 14 TYR H A 13 LEU HD11 1.0 . 4.08 29 28 A 14 TYR H A 13 LEU HDy% 1.0 . 4.08 30 29 A 15 LEU H A 14 TYR HD% 1.0 . 4.61 31 30 A 16 LYS H A 15 LEU H 1.0 . 4.52 32 31 A 11 LYS HA A 15 LEU H 1.0 . 4.57 33 32 A 15 LEU H A 14 TYR HBy 1.0 . 3.97 34 33 A 15 LEU H A 14 TYR HBx 1.0 . 4.11 35 34 A 14 TYR H A 13 LEU H 1.0 . 4.73 36 35 A 16 LYS HA A 19 PHE H 1.0 . 4.73 37 36 A 14 TYR HA A 15 LEU H 1.0 . 3.75 38 37 A 18 SER H A 15 LEU HA 1.0 . 4.11 39 38 A 18 SER H A 17 ILE HA 1.0 . 4.61 40 39 A 18 SER H A 17 ILE HB 1.0 . 3.86 41 40 A 18 SER H A 17 ILE HG2% 1.0 . 3.94 42 41 A 3 THR H A 2 ALA HA 1.0 . 3.34 43 42 A 3 THR H A 2 ALA HB% 1.0 . 4.47 44 43 A 10 TRP H A 9 SER HA 1.0 . 3.87 45 44 A 10 TRP H A 11 LYS H 1.0 . 5.14 46 45 A 10 TRP H A 9 SER HBx 1.0 . 4.47 47 46 A 10 TRP H A 9 SER HBy 1.0 . 4.82 48 47 A 28 LEU H A 27 LEU HA 1.0 . 4.37 49 48 A 28 LEU H A 27 LEU H 1.0 . 4.13 50 49 A 28 LEU H A 25 VAL HA 1.0 . 4.62 51 50 A 19 PHE HA A 22 CYS H 1.0 . 5.28 52 51 A 16 LYS H A 13 LEU HA 1.0 . 4.22 53 52 A 16 LYS H A 15 LEU HA 1.0 . 4.18 54 53 A 22 CYS H A 21 GLY HAx 1.0 . 4.05 55 54 A 22 CYS H A 21 GLY HAy 1.0 . 4.30 56 55 A 29 LYS H A 26 VAL HA 1.0 . 4.86 57 56 A 25 VAL HA A 29 LYS H 1.0 . 5.33 58 57 A 23 LYS H A 22 CYS HA 1.0 . 4.22 59 58 A 23 LYS H A 22 CYS HBy 1.0 . 5.21 60 59 A 23 LYS H A 24 VAL HGx% 1.0 . 4.78 61 60 A 23 LYS H A 24 VAL HGx% 1.0 . 6.00 62 61 A 23 LYS H A 22 CYS HBx 1.0 . 5.25 63 62 A 24 VAL H A 25 VAL H 1.0 . 4.21 64 63 A 22 CYS HA A 24 VAL H 1.0 . 5.08 65 64 A 24 VAL H A 23 LYS HA 1.0 . 4.17 66 65 A 27 LEU H A 26 VAL H 1.0 . 4.12 67 66 A 10 TRP HA A 11 LYS H 1.0 . 4.59 68 67 A 11 LYS H A 10 TRP HBx 1.0 . 4.91 69 68 A 11 LYS H A 10 TRP HBy 1.0 . 4.85 70 69 A 9 SER HA A 12 THR H 1.0 . 4.98 71 70 A 12 THR H A 13 LEU HD11 1.0 . 4.77 72 70 A 13 LEU HDy% A 12 THR H 1.0 . 4.77 73 71 A 25 VAL H A 24 VAL HA 1.0 . 4.28 74 72 A 10 TRP HA A 13 LEU H 1.0 . 5.01 75 73 A 13 LEU H A 12 THR HA 1.0 . 4.20 76 74 A 13 LEU H A 12 THR HB 1.0 . 4.69 77 75 A 13 LEU H A 12 THR HG2% 1.0 . 5.00 78 76 A 23 LYS HA A 26 VAL H 1.0 . 4.81 79 77 A 25 VAL HA A 26 VAL H 1.0 . 4.53 80 78 A 14 TYR HBy A 10 TRP HE3 1.0 . 4.24 81 79 A 14 TYR HBx A 10 TRP HE3 1.0 . 4.00 82 80 A 9 SER HA A 10 TRP HD1 1.0 . 5.27 83 81 A 10 TRP HD1 A 11 LYS HGx 1.0 . 5.23 84 82 A 16 LYS HA A 19 PHE HD% 1.0 . 4.48 85 83 A 19 PHE HD% A 22 CYS HBy 1.0 . 4.94 86 84 A 14 TYR HD% A 15 LEU HA 1.0 . 4.07 87 85 A 11 LYS HA A 14 TYR HD% 1.0 . 3.85 88 86 A 14 TYR HD% A 17 ILE HB 1.0 . 4.20 89 87 A 14 TYR HD% A 17 ILE HG2% 1.0 . 3.22 90 88 A 14 TYR HD% A 17 ILE HD1% 1.0 . 4.38 91 89 A 15 LEU HA A 14 TYR HE% 1.0 . 5.19 92 90 A 14 TYR HE% A 18 SER HBx 1.0 . 5.26 93 91 A 17 ILE HB A 14 TYR HE% 1.0 . 5.34 94 92 A 14 TYR HE% A 15 LEU HBx 1.0 . 6.00 95 93 A 17 ILE HG2% A 14 TYR HE% 1.0 . 3.65 96 94 A 17 ILE HD1% A 14 TYR HE% 1.0 . 5.55 97 95 A 14 TYR HBy A 10 TRP HZ3 1.0 . 5.42 98 96 A 14 TYR HBx A 10 TRP HZ3 1.0 . 4.97 99 97 A 11 LYS HA A 14 TYR HBx 1.0 . 3.79 100 98 A 10 TRP HZ3 A 13 LEU HD11 1.0 . 6.00 101 98 A 13 LEU HDy% A 10 TRP HZ3 1.0 . 6.00 102 99 A 28 LEU H A 24 VAL HA 1.0 . 4.80 103 100 A 11 LYS H A 10 TRP HD1 1.0 . 5.09 104 101 A 10 TRP HA A 13 LEU HG 1.0 . 3.85 105 102 A 19 PHE HA A 22 CYS HBx 1.0 . 4.69 106 103 A 19 PHE HA A 22 CYS HBy 1.0 . 4.94 107 104 A 24 VAL HA A 27 LEU HBx 1.0 . 3.53 108 105 A 24 VAL HA A 27 LEU HBy 1.0 . 4.49 109 106 A 24 VAL HA A 27 LEU HG 1.0 . 4.07 110 107 A 4 LYS HA A 5 HIS HBx 1.0 . 5.31 111 108 A 4 LYS HA A 5 HIS HBy 1.0 . 4.50 112 109 A 16 LYS HBy A 13 LEU HA 1.0 . 3.70 113 110 A 23 LYS H A 24 VAL HA 1.0 . 5.41 114 111 A 18 SER H A 17 ILE HD1% 1.0 . 5.50 115 112 A 29 LYS H A 28 LEU HD11 1.0 . 4.85 116 112 A 29 LYS H A 28 LEU HDy% 1.0 . 4.85 117 113 A 21 GLY H A 22 CYS H 1.0 . 5.19 118 114 A 28 LEU H A 29 LYS H 1.0 . 5.68 119 115 A 22 CYS H A 25 VAL HGx% 1.0 . 5.39 120 116 A 29 LYS H A 28 LEU HG 1.0 . 4.23 121 117 A 25 VAL HA A 28 LEU HG 1.0 . 4.29 122 118 A 28 LEU H A 27 LEU HBx 1.0 . 3.86 123 119 A 16 LYS H A 15 LEU HBy 1.0 . 3.85 124 120 A 8 ASN H A 7 LYS HBx 1.0 . 5.06 125 121 A 28 LEU H A 25 VAL HGx% 1.0 . 5.34 126 122 A 2 ALA H A 1 MET HA 1.0 . 3.53 127 123 A 21 GLY H A 20 LEU HD11 1.0 . 4.55 128 123 A 21 GLY H A 20 LEU HDy% 1.0 . 4.55 129 124 A 10 TRP HE3 A 13 LEU HD11 1.0 . 3.80 130 124 A 13 LEU HDy% A 10 TRP HE3 1.0 . 3.80 131 125 A 19 PHE HD% A 20 LEU HA 1.0 . 4.33 132 126 A 22 CYS HA A 25 VAL H 1.0 . 4.76 133 127 A 11 LYS HA A 14 TYR HBy 1.0 . 3.60 134 128 A 19 PHE H A 18 SER HBy 1.0 . 4.44 135 129 A 24 VAL H A 23 LYS HBy 1.0 . 3.60 136 129 A 24 VAL H A 23 LYS HBx 1.0 . 3.60 137 130 A 16 LYS HBx A 13 LEU HA 1.0 . 3.67 138 131 A 9 SER HA A 12 THR HG2% 1.0 . 4.47 139 132 A 16 LYS H A 15 LEU HD11 1.0 . 4.22 140 132 A 16 LYS H A 15 LEU HDy% 1.0 . 4.22 141 133 A 28 LEU H A 24 VAL HGx% 1.0 . 4.61 142 134 A 16 LYS H A 15 LEU HG 1.0 . 4.49 143 135 A 11 LYS HA A 14 TYR HE% 1.0 . 6.00 144 136 A 11 LYS HA A 10 TRP HE3 1.0 . 3.69 145 137 A 14 TYR HA A 10 TRP HE3 1.0 . 5.03 146 138 A 19 PHE H A 18 SER HBx 1.0 . 4.63 147 139 A 10 TRP HD1 A 13 LEU HD11 1.0 . 4.92 148 139 A 13 LEU HDy% A 10 TRP HD1 1.0 . 4.92 149 140 A 23 LYS HA A 26 VAL HB 1.0 . 3.68 150 141 A 22 CYS HA A 25 VAL HGx% 1.0 . 3.47 151 142 A 25 VAL H A 23 LYS HA 1.0 . 5.27 152 143 A 14 TYR HA A 17 ILE HD1% 1.0 . 3.34 153 144 A 12 THR HB A 11 LYS HBx 1.0 . 4.70 154 145 A 12 THR HB A 11 LYS HBy 1.0 . 5.14 155 146 A 25 VAL HA A 28 LEU HD11 1.0 . 4.26 156 146 A 25 VAL HA A 28 LEU HDy% 1.0 . 4.26 157 147 A 7 LYS HA A 10 TRP HD1 1.0 . 4.31 158 148 A 10 TRP HE3 A 11 LYS HBx 1.0 . 6.00 159 149 A 10 TRP HE3 A 11 LYS HGy 1.0 . 5.28 160 150 A 10 TRP HE3 A 11 LYS HGx 1.0 . 5.19 161 151 A 11 LYS H A 13 LEU HD11 1.0 . 5.12 162 151 A 13 LEU HDy% A 11 LYS H 1.0 . 5.12 163 152 A 16 LYS H A 15 LEU HBx 1.0 . 4.71 164 153 A 12 THR H A 11 LYS HGx 1.0 . 4.89 165 154 A 27 LEU HA A 29 LYS H 1.0 . 5.34 166 155 A 11 LYS HA A 10 TRP HZ3 1.0 . 4.81 167 156 A 20 LEU H A 21 GLY HAx 1.0 . 5.04 168 157 A 20 LEU H A 21 GLY HAy 1.0 . 5.06 169 158 A 24 VAL HGx% A 23 LYS HA 1.0 . 6.00 170 159 A 14 TYR HA A 17 ILE HG2% 1.0 . 2.44 171 160 A 22 CYS HA A 25 VAL HGx% 1.0 . 3.68 172 161 A 26 VAL HA A 29 LYS HDx 1.0 . 5.01 173 161 A 26 VAL HA A 29 LYS HDy 1.0 . 5.01 174 162 A 21 GLY HAy A 24 VAL HGx% 1.0 . 3.95 175 163 A 21 GLY HAx A 24 VAL HGx% 1.0 . 4.51 176 164 A 23 LYS H A 24 VAL HB 1.0 . 5.03 177 165 A 13 LEU HG A 10 TRP HE3 1.0 . 4.79 178 166 A 29 LYS H A 26 VAL HGx% 1.0 . 5.31 179 167 A 13 LEU HA A 12 THR HG2% 1.0 . 4.20 180 168 A 25 VAL H A 26 VAL H 1.0 . 4.66 181 169 A 20 LEU H A 19 PHE H 1.0 . 4.51 182 170 A 23 LYS H A 20 LEU HD11 1.0 . 5.07 183 170 A 23 LYS H A 20 LEU HDy% 1.0 . 5.07 184 171 A 24 VAL H A 25 VAL HGx% 1.0 . 3.51 185 172 A 22 CYS HA A 26 VAL H 1.0 . 5.54 186 173 A 21 GLY H A 20 LEU HA 1.0 . 3.97 187 174 A 21 GLY HAx A 24 VAL H 1.0 . 5.60 188 175 A 14 TYR HD% A 10 TRP HBx 1.0 . 5.34 189 176 A 14 TYR HD% A 10 TRP HBy 1.0 . 5.83 190 177 A 6 GLY H A 5 HIS HBx 1.0 . 5.38 191 178 A 8 ASN H A 7 LYS H 1.0 . 5.64 192 179 A 10 TRP HE3 A 11 LYS HBy 1.0 . 5.19 193 180 A 27 LEU H A 26 VAL HA 1.0 . 3.51 194 181 A 11 LYS HA A 10 TRP HD1 1.0 . 6.00 195 182 A 28 LEU H A 27 LEU HDx% 1.0 . 4.09 196 183 A 6 GLY H A 7 LYS HBy 1.0 . 5.70 197 184 A 6 GLY H A 7 LYS HBx 1.0 . 5.72 198 185 A 16 LYS HBx A 15 LEU HA 1.0 . 6.00 199 186 A 16 LYS HBx A 17 ILE HA 1.0 . 5.25 200 187 A 24 VAL HA A 27 LEU HDx% 1.0 . 3.60 201 188 A 24 VAL HA A 27 LEU HDx% 1.0 . 4.15 202 189 A 23 LYS HA A 26 VAL HGx% 1.0 . 3.59 203 190 A 23 LYS HA A 26 VAL HGx% 1.0 . 3.68 204 191 A 27 LEU HA A 26 VAL HGx% 1.0 . 4.90 205 192 A 27 LEU HA A 26 VAL HGx% 1.0 . 3.72 206 193 A 14 TYR HA A 13 LEU HG 1.0 . 3.04 207 194 A 28 LEU H A 25 VAL HB 1.0 . 5.73 208 195 A 14 TYR HBy A 11 LYS H 1.0 . 5.50 209 196 A 14 TYR HD% A 18 SER HBx 1.0 . 5.45 210 197 A 24 VAL H A 25 VAL HGx% 1.0 . 3.80 211 198 A 23 LYS H A 25 VAL HGx% 1.0 . 4.89 212 199 A 24 VAL HA A 20 LEU HD11 1.0 . 6.00 213 199 A 24 VAL HA A 20 LEU HDy% 1.0 . 6.00 214 200 A 14 TYR HD% A 15 LEU HG 1.0 . 4.79 215 201 A 19 PHE HD% A 15 LEU HG 1.0 . 5.18 216 202 A 19 PHE HD% A 23 LYS HGx 1.0 . 5.39 217 203 A 17 ILE HG2% A 18 SER HA 1.0 . 6.00 218 204 A 17 ILE HD1% A 18 SER HA 1.0 . 6.00 219 205 A 19 PHE HD% A 15 LEU HA 1.0 . 5.44 220 206 A 11 LYS HA A 10 TRP HH2 1.0 . 5.85 221 207 A 14 TYR HBx A 17 ILE HG2% 1.0 . 5.26 222 208 A 14 TYR HBy A 17 ILE HG2% 1.0 . 5.05 223 209 A 14 TYR HBy A 11 LYS HGx 1.0 . 5.09 224 210 A 22 CYS HBy A 23 LYS HGx 1.0 . 4.73 225 211 A 22 CYS HBy A 23 LYS HGy 1.0 . 4.71 226 212 A 13 LEU HG A 14 TYR HBy 1.0 . 4.76 227 213 A 14 TYR HBy A 17 ILE HB 1.0 . 4.81 228 214 A 14 TYR HBx A 17 ILE HB 1.0 . 4.77 229 215 A 13 LEU HG A 14 TYR HBx 1.0 . 5.32 230 216 A 13 LEU HG A 10 TRP HBy 1.0 . 5.93 231 217 A 14 TYR HBx A 17 ILE HD1% 1.0 . 5.73 232 218 A 11 LYS HGx A 10 TRP HZ2 1.0 . 5.35 233 219 A 8 ASN H A 7 LYS HGy 1.0 . 5.38 234 219 A 8 ASN H A 7 LYS HGx 1.0 . 5.38 235 220 A 16 LYS HBy A 15 LEU H 1.0 . 5.81 236 221 A 26 VAL H A 27 LEU HBx 1.0 . 5.60 237 222 A 10 TRP HD1 A 7 LYS HBy 1.0 . 5.49 238 223 A 10 TRP HD1 A 7 LYS HBx 1.0 . 5.40 239 224 A 13 LEU HG A 12 THR H 1.0 . 5.54 240 225 A 10 TRP HD1 A 7 LYS HGy 1.0 . 5.43 241 225 A 10 TRP HD1 A 7 LYS HGx 1.0 . 5.43 242 226 A 14 TYR HD% A 11 LYS HGx 1.0 . 5.60 243 227 A 11 LYS HGx A 10 TRP HZ3 1.0 . 5.75 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 17 ILE H A 16 LYS HDy 1.0 . 6.00 2 1 A 17 ILE H A 16 LYS HDx 1.0 . 6.00 3 2 A 9 SER H A 8 ASN HBx 1.0 . 4.36 4 2 A 9 SER H A 8 ASN HBy 1.0 . 4.36 5 3 A 20 LEU H A 19 PHE HBx 1.0 . 3.67 6 3 A 20 LEU H A 19 PHE HBy 1.0 . 3.67 7 4 A 14 TYR H A 13 LEU HBx 1.0 . 3.95 8 4 A 14 TYR H A 13 LEU HBy 1.0 . 3.95 9 5 A 18 SER H A 16 LYS HDy 1.0 . 4.85 10 5 A 18 SER H A 16 LYS HDx 1.0 . 4.85 11 6 A 10 TRP HD1 A 8 ASN HBx 1.0 . 5.49 12 6 A 10 TRP HD1 A 8 ASN HBy 1.0 . 5.49 13 7 A 10 TRP HH2 A 11 LYS HEx 1.0 . 5.17 14 7 A 10 TRP HH2 A 11 LYS HEy 1.0 . 5.17 15 8 A 10 TRP HZ2 A 11 LYS HEx 1.0 . 4.07 16 8 A 10 TRP HZ2 A 11 LYS HEy 1.0 . 4.07 17 9 A 10 TRP HA A 13 LEU HBx 1.0 . 3.74 18 9 A 10 TRP HA A 13 LEU HBy 1.0 . 3.74 19 10 A 16 LYS HA A 19 PHE HBx 1.0 . 3.46 20 10 A 16 LYS HA A 19 PHE HBy 1.0 . 3.46 21 11 A 16 LYS H A 19 PHE HBx 1.0 . 5.36 22 11 A 16 LYS H A 19 PHE HBy 1.0 . 5.36 23 12 A 9 SER HA A 8 ASN HBx 1.0 . 5.47 24 12 A 9 SER HA A 8 ASN HBy 1.0 . 5.47 25 13 A 7 LYS HA A 8 ASN HBx 1.0 . 5.03 26 13 A 7 LYS HA A 8 ASN HBy 1.0 . 5.03 27 14 A 8 ASN HA A 8 ASN HBx 1.0 . 4.71 28 14 A 8 ASN HBy A 8 ASN HA 1.0 . 4.71 29 15 A 20 LEU HA A 19 PHE HBx 1.0 . 5.00 30 15 A 20 LEU HA A 19 PHE HBy 1.0 . 5.00 31 16 A 26 VAL HA A 26 VAL HB 1.0 . 3.01 32 17 A 24 VAL HA A 24 VAL HB 1.0 . 0.00 33 18 A 22 CYS HA A 25 VAL HB 1.0 . 6.00 34 19 A 22 CYS HA A 26 VAL HB 1.0 . 0.00 35 20 A 12 THR HB A 13 LEU HBx 1.0 . 4.41 36 20 A 12 THR HB A 13 LEU HBy 1.0 . 4.41 37 21 A 14 TYR HD% A 13 LEU HBx 1.0 . 6.00 38 21 A 14 TYR HD% A 13 LEU HBy 1.0 . 6.00 39 22 A 17 ILE HA A 16 LYS HDy 1.0 . 6.00 40 22 A 17 ILE HA A 16 LYS HDx 1.0 . 6.00 41 23 A 14 TYR HA A 17 ILE HG1x 1.0 . 4.15 42 23 A 14 TYR HA A 17 ILE HG1y 1.0 . 4.15 43 24 A 2 ALA H A 1 MET HBx 1.0 . 5.22 44 24 A 2 ALA H A 1 MET HBy 1.0 . 5.22 45 25 A 19 PHE HD% A 20 LEU HBx 1.0 . 4.01 46 25 A 19 PHE HD% A 20 LEU HBy 1.0 . 4.01 47 26 A 19 PHE H A 16 LYS HDy 1.0 . 4.90 48 26 A 19 PHE H A 16 LYS HDx 1.0 . 4.90 49 27 A 19 PHE HBy A 16 LYS HDy 1.0 . 4.46 50 27 A 16 LYS HDy A 19 PHE HBx 1.0 . 4.46 51 28 A 16 LYS HDx A 19 PHE HBx 1.0 . 0.00 52 29 A 10 TRP HE3 A 13 LEU HBx 1.0 . 6.00 53 29 A 10 TRP HE3 A 13 LEU HBy 1.0 . 6.00 54 30 A 22 CYS HA A 23 LYS HBy 1.0 . 6.00 55 30 A 22 CYS HA A 23 LYS HBx 1.0 . 6.00 56 31 A 19 PHE HD% A 16 LYS HDy 1.0 . 4.66 57 31 A 19 PHE HD% A 16 LYS HDx 1.0 . 4.66 58 32 A 17 ILE HG2% A 16 LYS HEx 1.0 . 6.00 59 32 A 17 ILE HG2% A 16 LYS HEy 1.0 . 6.00 60 33 A 19 PHE HBy A 20 LEU HD11 1.0 . 6.00 61 33 A 19 PHE HBx A 20 LEU HD11 1.0 . 6.00 62 33 A 20 LEU HDy% A 19 PHE HBx 1.0 . 6.00 63 33 A 20 LEU HDy% A 19 PHE HBy 1.0 . 6.00 64 34 A 11 LYS HBx A 8 ASN HBx 1.0 . 4.55 65 34 A 11 LYS HBx A 8 ASN HBy 1.0 . 4.55 66 35 A 11 LYS HBy A 8 ASN HBx 1.0 . 5.43 67 35 A 11 LYS HBy A 8 ASN HBy 1.0 . 5.43 68 36 A 19 PHE HBy A 20 LEU HBx 1.0 . 4.68 69 36 A 19 PHE HBx A 20 LEU HBx 1.0 . 4.68 70 36 A 20 LEU HBy A 19 PHE HBx 1.0 . 4.68 71 36 A 19 PHE HBy A 20 LEU HBy 1.0 . 4.68 72 37 A 16 LYS HBx A 19 PHE HBx 1.0 . 5.63 73 37 A 16 LYS HBx A 19 PHE HBy 1.0 . 5.63 74 38 A 11 LYS HGy A 8 ASN HBx 1.0 . 5.56 75 38 A 11 LYS HGy A 8 ASN HBy 1.0 . 5.56 76 39 A 7 LYS HBy A 8 ASN HBx 1.0 . 5.73 77 39 A 7 LYS HBy A 8 ASN HBy 1.0 . 5.73 78 40 A 7 LYS HGy A 8 ASN HBx 1.0 . 5.69 79 40 A 7 LYS HGx A 8 ASN HBx 1.0 . 5.69 80 40 A 8 ASN HBy A 7 LYS HGy 1.0 . 5.69 81 40 A 7 LYS HGx A 8 ASN HBy 1.0 . 5.69 82 41 A 10 TRP HBy A 13 LEU HBx 1.0 . 5.97 83 41 A 10 TRP HBy A 13 LEU HBy 1.0 . 5.97 84 42 A 16 LYS HGx A 19 PHE HBx 1.0 . 5.80 85 42 A 16 LYS HGy A 19 PHE HBx 1.0 . 5.80 86 42 A 19 PHE HBy A 16 LYS HGx 1.0 . 5.80 87 42 A 19 PHE HBy A 16 LYS HGy 1.0 . 5.80 88 43 A 14 TYR HD% A 17 ILE HG1x 1.0 . 5.66 89 43 A 14 TYR HD% A 17 ILE HG1y 1.0 . 5.66 90 44 A 10 TRP H A 13 LEU HBx 1.0 . 5.65 91 44 A 10 TRP H A 13 LEU HBy 1.0 . 5.65 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 ASN C A 9 SER N A 9 SER CA A 9 SER C 1.0 -82.9 -42.9 PHI 2 2 A 9 SER N A 9 SER CA A 9 SER C A 10 TRP N 1.0 -60.7 -20.7 PSI 3 3 A 9 SER C A 10 TRP N A 10 TRP CA A 10 TRP C 1.0 -99.5 -37.9 PHI 4 4 A 10 TRP C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -84.6 -41.6 PHI 5 5 A 10 TRP N A 10 TRP CA A 10 TRP C A 11 LYS N 1.0 -70.2 -2.0 PSI 6 6 A 11 LYS C A 12 THR N A 12 THR CA A 12 THR C 1.0 -95.4 -48.0 PHI 7 7 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 THR N 1.0 -63.7 -10.5 PSI 8 8 A 12 THR N A 12 THR CA A 12 THR C A 13 LEU N 1.0 -67.6 4.0 PSI 9 9 A 12 THR C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -102.4 -42.4 PHI 10 10 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 TYR N 1.0 -67.2 1.8 PSI 11 11 A 13 LEU C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -86.5 -44.1 PHI 12 12 A 14 TYR C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -86.6 -46.6 PHI 13 13 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 LEU N 1.0 -60.5 -20.5 PSI 14 14 A 15 LEU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -84.7 -44.7 PHI 15 15 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LYS N 1.0 -61.5 -21.5 PSI 16 16 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ILE N 1.0 -61.0 -21.0 PSI 17 17 A 16 LYS C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -87.0 -47.0 PHI 18 18 A 17 ILE C A 18 SER N A 18 SER CA A 18 SER C 1.0 -83.9 -43.9 PHI 19 19 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 SER N 1.0 -56.6 -16.6 PSI 20 20 A 18 SER N A 18 SER CA A 18 SER C A 19 PHE N 1.0 -62.1 -22.1 PSI 21 21 A 18 SER C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -85.4 -45.4 PHI 22 22 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 LEU N 1.0 -63.4 -23.4 PSI 23 23 A 19 PHE C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -83.2 -43.2 PHI 24 24 A 20 LEU C A 21 GLY N A 21 GLY CA A 21 GLY C 1.0 -84.0 -44.0 PHI 25 25 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 GLY N 1.0 -62.8 -22.8 PSI 26 26 A 21 GLY N A 21 GLY CA A 21 GLY C A 22 CYS N 1.0 -58.6 -10.6 PSI 27 27 A 21 GLY C A 22 CYS N A 22 CYS CA A 22 CYS C 1.0 -86.5 -46.3 PHI 28 28 A 22 CYS C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -84.5 -44.5 PHI 29 29 A 22 CYS N A 22 CYS CA A 22 CYS C A 23 LYS N 1.0 -68.7 -10.1 PSI 30 30 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 VAL N 1.0 -65.0 -11.8 PSI 31 31 A 23 LYS C A 24 VAL N A 24 VAL CA A 24 VAL C 1.0 -86.2 -46.2 PHI 32 32 A 24 VAL N A 24 VAL CA A 24 VAL C A 25 VAL N 1.0 -67.4 -15.4 PSI 33 33 A 24 VAL C A 25 VAL N A 25 VAL CA A 25 VAL C 1.0 -84.5 -43.9 PHI 34 34 A 25 VAL N A 25 VAL CA A 25 VAL C A 26 VAL N 1.0 -61.0 -20.0 PSI 35 35 A 25 VAL C A 26 VAL N A 26 VAL CA A 26 VAL C 1.0 -105.2 -37.2 PHI 36 36 A 26 VAL N A 26 VAL CA A 26 VAL C A 27 LEU N 1.0 -57.0 -17.0 PSI 37 37 A 26 VAL C A 27 LEU N A 27 LEU CA A 27 LEU C 1.0 -108.8 -34.6 PHI 38 38 A 27 LEU N A 27 LEU CA A 27 LEU C A 28 LEU N 1.0 -63.0 -4.2 PSI 39 39 A 27 LEU C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -110.8 -36.8 PHI 40 40 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LYS N 1.0 -63.4 -0.2 PSI 41 41 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 ARG N 1.0 -61.3 -10.9 PSI 42 42 A 28 LEU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -85.2 -41.6 PHI stop_ save_